2-(3-ethoxy-1-propan-2-ylpiperidin-3-yl)acetaldehyde

C12H23NO2 — CID 105467045

IUPAC2-(3-ethoxy-1-propan-2-ylpiperidin-3-yl)acetaldehyde
SMILESCCOC1(CC=O)CCCN(C(C)C)C1
InChIInChI=1S/C12H23NO2/c1-4-15-12(7-9-14)6-5-8-13(10-12)11(2)3/h9,11H,4-8,10H2,1-3H3
InChIKeyFDVFQSVSIHCSLD-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.85
Rot. Bonds5

About 2-(3-ethoxy-1-propan-2-ylpiperidin-3-yl)acetaldehyde

2-(3-ethoxy-1-propan-2-ylpiperidin-3-yl)acetaldehyde (PubChem CID 105467045) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-(3-ethoxy-1-propan-2-ylpiperidin-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(3-ethoxy-1-propan-2-ylpiperidin-3-yl)acetaldehyde
PubChem CID105467045
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-(3-ethoxy-1-propan-2-ylpiperidin-3-yl)acetaldehyde
SMILESCCOC1(CC=O)CCCN(C(C)C)C1
InChIInChI=1S/C12H23NO2/c1-4-15-12(7-9-14)6-5-8-13(10-12)11(2)3/h9,11H,4-8,10H2,1-3H3
InChIKeyFDVFQSVSIHCSLD-UHFFFAOYSA-N
XLogP1.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

8-propan-2-yl-2,8-diazaspiro[3.5]nonane-2-carbaldehyde
CID 171415652
3-ethyl-1-propan-2-ylpiperidin-3-ol
CID 121277357
2-(3-ethoxyoxolan-3-yl)acetaldehyde
CID 105430914
3-methyl-1-propan-2-ylpiperidin-3-ol
CID 69087871
formic acid;1-methoxypropane;5-propan-2-yl-5-azaspiro[2.4]heptane
CID 169177422
1-(3-ethoxy-1-methylpiperidin-3-yl)-N-methylmethanamine
CID 105442315
2-(3-hydroxy-1-propan-2-ylpiperidin-3-yl)acetonitrile
CID 131609024
2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;ethane
CID 172605205
3-ethyl-3-(methoxymethyl)-1-propan-2-ylpyrrolidine
CID 134242781
2-[3-(methylaminomethyl)-1-propan-2-ylazetidin-3-yl]acetaldehyde
CID 166168002
formic acid;1-propan-2-ylpyrrolidine
CID 162750581
2-(1-ethylcyclobutyl)acetaldehyde
CID 130601222

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-1-propan-2-ylpiperidin-3-yl)acetaldehyde?
The IUPAC name of 2-(3-ethoxy-1-propan-2-ylpiperidin-3-yl)acetaldehyde (CID 105467045) is 2-(3-ethoxy-1-propan-2-ylpiperidin-3-yl)acetaldehyde.
What is the SMILES notation for 2-(3-ethoxy-1-propan-2-ylpiperidin-3-yl)acetaldehyde?
The canonical SMILES for 2-(3-ethoxy-1-propan-2-ylpiperidin-3-yl)acetaldehyde is CCOC1(CC=O)CCCN(C(C)C)C1.
What is the InChIKey of 2-(3-ethoxy-1-propan-2-ylpiperidin-3-yl)acetaldehyde?
The InChIKey is FDVFQSVSIHCSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-15-12(7-9-14)6-5-8-13(10-12)11(2)3/h9,11H,4-8,10H2,1-3H3.
What are the key properties of 2-(3-ethoxy-1-propan-2-ylpiperidin-3-yl)acetaldehyde?
2-(3-ethoxy-1-propan-2-ylpiperidin-3-yl)acetaldehyde has a molecular weight of 213.32 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-1-propan-2-ylpiperidin-3-yl)acetaldehyde is sourced from PubChem (CID 105467045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).